Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-f8ac589ee490

Landfill 379 aa · assembly ERZ782921_FASTA_CDS_annotated · contig ERZ782921.9198-NODE-9198-length-3822-cov-3.389700_1

Retrieval

E-value1.20e-09
Bitscore25.3
Identity to nearest0.275
Nearest characterisedEC:A0A7W8EHH8

Structure

Methodesmfold
Mean pLDDT88.6
RMSD to IsPETase14.29 Å
Aligned fraction0.234

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS216/D259/H288
Ser–His3.04 Å
His–Asp3.33 Å
Cleft width22.49 Å
Cleft depth2.45 Å

Aromatic clamp: PHE136, PHE291, TYR129, TYR161

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

LRRIVLVLSALTLMALLAVISACEPGGGTGGDSSVTVCGVTKVRSISDDPGVRGPWAVGSRTVTISGLKTEVWYPSVPGSQGSQAKDWIDTREYMPDSNPVSTDPKFQIDSYKGLPLDTSYGPYPVIIYVHGTGSFRTASHEQCTHWASRGFVVLCADNPYIMLGDVISGGLTSILRADQTGDTRKLLAAVRNPPTALSFLRGYLASDRIGLAGHSAGGSAISGLGSEAGVKVIIPQAAGGVGAGSSVESALVMGGLEDDTATARRVRSAYNDITFKKRLVLIPDAGHMVFCNICPIVTGGGQEQLSGMLESLASDGCGPQYMDPQQSSLIVNFAATAVFEETLMCSERAAGRIDGISSRFRGVEYAYDPNPSSSGGCD